CID 200422

Strychnidine

Structural Information

Molecular Formula
C21H24N2O
SMILES
C1CN2[C@H]3[C@@H]4[C@H]1OCC=C5[C@@H]4C[C@H]6C3(CCN6C5)C7=CC=CC=C72
InChI
InChI=1S/C21H24N2O/c1-2-4-16-15(3-1)21-7-9-22-12-13-6-10-24-17-5-8-23(16)20(21)19(17)14(13)11-18(21)22/h1-4,6,14,17-20H,5,7-12H2/t14-,17-,18-,19-,20-,21?/m0/s1
InChIKey
AGRTUYYPROFOFX-ZAJNFDODSA-N
Compound name
(4aR,5aS,13aS,15aS,15bR)-2,4a,5,5a,7,8,13a,14,15,15a,15b,16-dodecahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18887 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 172.0
[M+Na]+ 343.17809 181.5
[M+NH4]+ 338.22269 184.1
[M+K]+ 359.15203 176.5
[M-H]- 319.18159 174.7
[M+Na-2H]- 341.16354 170.0
[M]+ 320.18832 174.4
[M]- 320.18942 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.